3-[(1S,9bS)-1-methoxycarbonyl-9b-oxidanyl-5-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-3-yl]propanoic acid

Systemtic Name: 3-[(1S,9bS)-1-methoxycarbonyl-9b-oxidanyl-5-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-3-yl]propanoic acid Openeye Name: 3-[(1S,9bS)-9b-hydroxy-1-methoxycarbonyl-5-oxo-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-3-yl]propanoic acid CAS Name: 3-[(1S,9bS)-9b-hydroxy-1-methoxycarbonyl-5-oxo-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-3-yl]propanoic acid IUPAC Name: 3-[(1S,9bS)-9b-hydroxy-1-methoxycarbonyl-5-oxo-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-3-yl]propanoic acid Traditional Name: 3-[(1S,9bS)-1-carbomethoxy-9b-hydroxy-5-keto-2,3-dihydro-1H-pyrrol[2,1-a]isoindol-3-yl]propionic acid Formula: C16H17NO6 MolecularWeight: 319.30928

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(N2C1(C3=CC=CC=C3C2=O)O)CCC(=O)O

Isomeric SMILES

COC(=O)[C@H]1CC(N2[C@]1(C3=CC=CC=C3C2=O)O)CCC(=O)O

InChI

InChI=1S/C16H17NO6/c1-23-15(21)12-8-9(6-7-13(18)19)17-14(20)10-4-2-3-5-11(10)16(12,17)22/h2-5,9,12,22H,6-8H2,1H3,(H,18,19)/t9?,12-,16-/m1/s1